2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

C18H28N4O3S2 — CID 53115034

IUPAC2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)NC(C)C)c(C)n2C)nc1C
InChIInChI=1S/C18H28N4O3S2/c1-8-22(9-2)18(23)16-12(5)19-17(26-16)14-10-15(13(6)21(14)7)27(24,25)20-11(3)4/h10-11,20H,8-9H2,1-7H3
InChIKeyQGTALTDXAWLXIA-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.93
Rot. Bonds7

About 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide

2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53115034) has the molecular formula C18H28N4O3S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53115034
Molecular FormulaC18H28N4O3S2
Molecular Weight412.58 g/mol
Exact Mass412.16
IUPAC Name2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)NC(C)C)c(C)n2C)nc1C
InChIInChI=1S/C18H28N4O3S2/c1-8-22(9-2)18(23)16-12(5)19-17(26-16)14-10-15(13(6)21(14)7)27(24,25)20-11(3)4/h10-11,20H,8-9H2,1-7H3
InChIKeyQGTALTDXAWLXIA-UHFFFAOYSA-N
XLogP2.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115028
2-[4-[(2,5-dimethylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115032
N,N-diethyl-2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53115047
N-butan-2-yl-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114727
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-ethyl-1,2-dimethylpyrrole-3-sulfonamide
CID 53114923
1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114879
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114946
N-[2-(dimethylamino)ethyl]-1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114866
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-fluorophenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53114907
azepan-1-yl-[2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53114912

Frequently Asked Questions

What is the IUPAC name of 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 53115034) is 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)NC(C)C)c(C)n2C)nc1C.
What is the InChIKey of 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QGTALTDXAWLXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S2/c1-8-22(9-2)18(23)16-12(5)19-17(26-16)14-10-15(13(6)21(14)7)27(24,25)20-11(3)4/h10-11,20H,8-9H2,1-7H3.
What are the key properties of 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide?
2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrrol-2-yl]-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53115034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).